3-azanyl-6-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)hexane-1,2-diol

Systemtic Name: 3-azanyl-6-(7-azanyl-3,4,5,6-tetrahydro-2H-azepin-2-yl)hexane-1,2-diol Openeye Name: 3-amino-6-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)hexane-1,2-diol CAS Name: 3-amino-6-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)hexane-1,2-diol IUPAC Name: 3-amino-6-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)hexane-1,2-diol Traditional Name: 3-amino-6-(7-amino-3,4,5,6-tetrahydro-2H-azepin-2-yl)hexane-1,2-diol Formula: C12H25N3O2 MolecularWeight: 243.3458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NC(C1)CCCC(C(CO)O)N)N

Isomeric SMILES

C1CCC(=NC(C1)CCCC(C(CO)O)N)N

InChI

InChI=1S/C12H25N3O2/c13-10(11(17)8-16)6-3-5-9-4-1-2-7-12(14)15-9/h9-11,16-17H,1-8,13H2,(H2,14,15)